SCHEMBL18374609

SCHEMBL18374609

C=CCCc1ccc(OCC)c(C(F)F)c1F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.36
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
PKM P14618 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18374614 0.89 L3MBTL1 (0.33) MAPK1L3MBTL1
SCHEMBL18374610 0.88 CNR2 (0.37) MAPK1L3MBTL1
SCHEMBL18374612 0.86
SCHEMBL18374602 0.85 VEGFA (0.35) VEGFA
SCHEMBL18374600 0.82 VEGFA (0.39) VEGFAHPGDTSHRMAPK1L3MBTL1
SCHEMBL18374613 0.81 CTSL (0.42) HPGDL3MBTL1
SCHEMBL18374727 0.80
SCHEMBL19442947 0.78 GABRA1 (0.33) HPGDTSHRGABRA1GABRB2PKM
SCHEMBL18364536 0.78 ALDH1A1 (0.33) HPGDTSHRGABRA1GABRB2PKM
SCHEMBL19442910 0.77 GABRA1 (0.32) HPGDTSHRGABRA1GABRB2PKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783736-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-10-10 US disclosed
US-20170009137-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2017-01-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170009137-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, BRAF, LEF1 VEGFA 3120/4885HPGD 4760/4885TSHR 882/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.